| 3 |
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|
| 4 |
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#include "SimInfo.hpp" |
| 5 |
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#include "MakeStamps.hpp" |
| 6 |
+ |
#define __C |
| 7 |
+ |
#include "mpiComponentPlan.h" |
| 8 |
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|
| 9 |
+ |
|
| 10 |
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class mpiSimulation{ |
| 11 |
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public: |
| 12 |
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|
| 30 |
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|
| 31 |
|
protected: |
| 32 |
|
SimInfo* entryPlug; |
| 33 |
< |
|
| 31 |
< |
int myMolStart; |
| 32 |
< |
int myMolEnd; |
| 33 |
< |
int myAtomStart, myAtomEnd; |
| 34 |
< |
int myMol; |
| 35 |
< |
int myNlocal; |
| 36 |
< |
int *myIdents; |
| 37 |
< |
int numberProcessors; |
| 38 |
< |
int myNode; |
| 39 |
< |
// int processorNameLen; |
| 40 |
< |
// char* processorName; |
| 41 |
< |
int natomsRow,natomsCol; |
| 42 |
< |
int numberCols,numberRows; |
| 43 |
< |
int nmolsRow,nmolsCol,nmolsLocal; |
| 33 |
> |
mpiSimData* mpiPlug; |
| 34 |
|
|
| 35 |
+ |
// int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is. |
| 36 |
|
|
| 46 |
– |
int simTotAtoms, simTotBonds, simTotBends, simTotTorsions; |
| 47 |
– |
int simTotSRI, simTotNmol; |
| 48 |
– |
|
| 37 |
|
}; |
| 38 |
|
|
| 39 |
+ |
extern mpiSimulation* mpiSim; |
| 40 |
|
|
| 41 |
|
#endif |
